Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, propyl ester

Base Information

• Chemical Name: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, propyl ester
• CAS No.: 78033-86-0
• Molecular Formula: C₁₉H₂₁NO₃S
• Molecular Weight: 343.447
• DSSTox Substance ID: DTXSID40228685
• Wikidata: Q83108728
• Mol file: 78033-86-0.mol

Synonyms:BRN 5115748;Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, propyl ester;Propyl 4,5,6,7-tetrahydro-2-(benzoylamino)benzo(b)thiophene-3-carboxylate;78033-86-0;DTXSID40228685;AKOS003846859;LS-41160

Chemical Property of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, propyl ester

Chemical Property:

• Vapor Pressure: 2.3E-08mmHg at 25°C
• Boiling Point: 452.1°Cat760mmHg
• Flash Point: 227.2°C
• Density: 1.246g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 343.12421471
• Heavy Atom Count: 24
• Complexity: 450

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3

Technology Process of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, propyl ester

There total 1 articles about Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, propyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.1%

propan-1-ol (71-23-8) + 5,6,7,8-tetrahydro-2-phenyl-4H-benzo<4,5->thieno<2,3-d><3,1>-oxazin-4-one (73696-35-2) → 2-Benzoylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid propyl ester (78033-86-0)

Guidance literature:

With sodium methylate; for 2h; Heating;

DOI:10.1007/BF01152329

upstream raw materials:

propan-1-ol

5,6,7,8-tetrahydro-2-phenyl-4H-benzo<4,5->thieno<2,3-d><3,1>-oxazin-4-one